4-(10-bromodecoxy)dodecyl-phenyldiazene

C28H49BrN2O — CID 67872732

IUPAC4-(10-bromodecoxy)dodecyl-phenyldiazene
SMILESCCCCCCCCC(CCC/N=N/c1ccccc1)OCCCCCCCCCCBr
InChIInChI=1S/C28H49BrN2O/c1-2-3-4-5-10-16-22-28(23-19-25-30-31-27-20-14-13-15-21-27)32-26-18-12-9-7-6-8-11-17-24-29/h13-15,20-21,28H,2-12,16-19,22-26H2,1H3/b31-30+
InChIKeyZGLAXRMHKNVTLQ-NVQSTNCTSA-N
MW509.62 g/mol
LogP10.20
Rot. Bonds23

About 4-(10-bromodecoxy)dodecyl-phenyldiazene

4-(10-bromodecoxy)dodecyl-phenyldiazene (PubChem CID 67872732) has the molecular formula C28H49BrN2O and a molecular weight of 509.62 g/mol. Its IUPAC name is 4-(10-bromodecoxy)dodecyl-phenyldiazene.

Molecular Properties

Compound Name4-(10-bromodecoxy)dodecyl-phenyldiazene
PubChem CID67872732
Molecular FormulaC28H49BrN2O
Molecular Weight509.62 g/mol
Exact Mass508.30
IUPAC Name4-(10-bromodecoxy)dodecyl-phenyldiazene
SMILESCCCCCCCCC(CCC/N=N/c1ccccc1)OCCCCCCCCCCBr
InChIInChI=1S/C28H49BrN2O/c1-2-3-4-5-10-16-22-28(23-19-25-30-31-27-20-14-13-15-21-27)32-26-18-12-9-7-6-8-11-17-24-29/h13-15,20-21,28H,2-12,16-19,22-26H2,1H3/b31-30+
InChIKeyZGLAXRMHKNVTLQ-NVQSTNCTSA-N
XLogP10.20
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.62
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

19-[5-(5-bromopentoxy)pentadecyl]heptatriacontane
CID 177291631
6-octoxyundecane
CID 20520524
10-decoxyicosane
CID 150196888
1-phenyldiazenyloctan-2-ol
CID 175098417
8-dodecoxydodecyl diphenyl phosphite
CID 101311946
phenyl bis(4-tridecoxytridecyl) phosphite
CID 101311900
1-hydroxyimino-4-octoxy-1-phenyldodecan-2-ol
CID 86742843
1-(7-bromo-1-octoxyheptoxy)octane
CID 146464261
10-bromo-1,1-di(nonoxy)decane
CID 146509943
octoxy(phenyl)diazene
CID 19023895
1-dodecoxyhexylbenzene
CID 174774790
1-[2,3-bis(4-bromobutoxy)propoxy]hexadecane
CID 139648498

Frequently Asked Questions

What is the IUPAC name of 4-(10-bromodecoxy)dodecyl-phenyldiazene?
The IUPAC name of 4-(10-bromodecoxy)dodecyl-phenyldiazene (CID 67872732) is 4-(10-bromodecoxy)dodecyl-phenyldiazene.
What is the SMILES notation for 4-(10-bromodecoxy)dodecyl-phenyldiazene?
The canonical SMILES for 4-(10-bromodecoxy)dodecyl-phenyldiazene is CCCCCCCCC(CCC/N=N/c1ccccc1)OCCCCCCCCCCBr.
What is the InChIKey of 4-(10-bromodecoxy)dodecyl-phenyldiazene?
The InChIKey is ZGLAXRMHKNVTLQ-NVQSTNCTSA-N. The full InChI is InChI=1S/C28H49BrN2O/c1-2-3-4-5-10-16-22-28(23-19-25-30-31-27-20-14-13-15-21-27)32-26-18-12-9-7-6-8-11-17-24-29/h13-15,20-21,28H,2-12,16-19,22-26H2,1H3/b31-30+.
What are the key properties of 4-(10-bromodecoxy)dodecyl-phenyldiazene?
4-(10-bromodecoxy)dodecyl-phenyldiazene has a molecular weight of 509.62 g/mol, XLogP of 10.20, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-bromodecoxy)dodecyl-phenyldiazene is sourced from PubChem (CID 67872732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).